Ion channels formed by HIV-1 Vpu: A modelling and simulation study

被引:82
作者
Grice, AL [1 ]
Kerr, ID [1 ]
Sansom, MSP [1 ]
机构
[1] UNIV OXFORD,MOL BIOPHYS LAB,OXFORD OX1 3QU,ENGLAND
基金
英国惠康基金;
关键词
HIV-1; Vpu; ion channel; molecular dynamics; conductance;
D O I
10.1016/S0014-5793(97)00198-1
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Vpu is an oligomeric integral membrane protein encoded by HIV-1 which forms ion channels, each subunit of which contains a single transmembrane helix. Models of Vpu channels formed by bundles of N=4, 5 or 6 transmembrane helices have been developed by restrained molecular dynamics and refined by 100 ps simulations with mater molecules within the pore. Pore radius profiles and conductance predictions suggest that the N=5 model corresponds to the predominant channel conductance level of the channel. Potential energy profiles for translation of Na+ or Cl- ions along the Vpu N=5 pore are consistent with the weak cation selectivity of Vpu channels. (C) 1997 Federation of European Biochemical Societies.
引用
收藏
页码:299 / 304
页数:6
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